[P1-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[P1-3pm-07] Accurate and Rapid Prediction of Spin-Orbit Coupling by Machine Learning based on Electronic Structure Theory

^○Yuika Takahashi¹, Rima Suzuki¹, Nahoko Kuroki^1,2, Hirotoshi Mori^1,3 (1. Department of Applied Chemistry, Faculty of Science and Engineering, Chuo University, 2. JST ACT-X, 3. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science)

[Lang.] Japanese

Keywords:Spin-Orbit Coupling, Machine Learning, Electronic Structure Informatics, Excited state, El-Sayed rule